Zhang Lab

University of Michigan

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●DMFold ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	CHEMBL434747
Molecular formula	C30H40ClFN4O2
IUPAC name	3-(3-chloro-4-fluorophenyl)-1-[2-[di(propan-2-yl)amino]ethyl]-1-[(3R,6S)-6-[3-[(E)-methoxyiminomethyl]phenyl]-3-bicyclo[4.1.0]heptanyl]urea
Molecular weight	543.124
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	6.8
Synonyms	BDBM50215614 3-(3-chloro-4-fluorophenyl)-1-(2-(diisopropylamino)ethyl)-1-((3R,6S)-6-(3-((E)-(methoxyimino)methyl)phenyl)bicyclo[4.1.0]heptan-3-yl)urea
Inchi Key	AMRCVMXHDLSWKR-MBVDHQLWSA-N
Inchi ID	InChI=1S/C30H40ClFN4O2/c1-20(2)35(21(3)4)13-14-36(29(37)34-25-9-10-28(32)27(31)17-25)26-11-12-30(18-24(30)16-26)23-8-6-7-22(15-23)19-33-38-5/h6-10,15,17,19-21,24,26H,11-14,16,18H2,1-5H3,(H,34,37)/b33-19+/t24?,26-,30-/m1/s1
PubChem CID	44424206
ChEMBL	CHEMBL434747
IUPHAR	N/A
BindingDB	50215614
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
9174	Melanin-concentrating hormone receptor 1	Q99705	MCHR1	Homo sapiens (Human)	422
9175	Melanin-concentrating hormone receptor 1	Q8JZL2	Mchr1	Mus musculus (Mouse)	353

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218